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Home > Nitro Compounds > 15247-71-9
15247-71-9 | 2-(4-METHYL-3-NITROBENZOYL)BENZOIC ACID
CAS No: 15247-71-9 Catalog No: AG01AO50 MDL No:MFCD01846420
Product Description
Catalog Number:
AG01AO50
Chemical Name:
2-(4-METHYL-3-NITROBENZOYL)BENZOIC ACID
CAS Number:
15247-71-9
Molecular Formula:
C15H11NO5
Molecular Weight:
285.2515
MDL Number:
MFCD01846420
IUPAC Name:
2-(4-methyl-3-nitrobenzoyl)benzoic acid
InChI:
InChI=1S/C15H11NO5/c1-9-6-7-10(8-13(9)16(20)21)14(17)11-4-2-3-5-12(11)15(18)19/h2-8H,1H3,(H,18,19)
InChI Key:
JVUODQSMSGPNQS-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)c1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.255g/mol
Monoisotopic Mass:
285.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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